SCHEMBL10445563

SCHEMBL10445563

CCCN(CCC)C(=O)[C](C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 4/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
MLYCD O95822 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL154162 0.79 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL583897 0.78 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL9076012 0.77 LMNA (0.43) CA12CA9CA2TSHRALDH1A1
SCHEMBL483128 0.77 CA12 (0.55) CA12CA9CA2TSHRMAPK1
SCHEMBL13055370 0.74 CA12 (0.52) CA12CA9CA2TSHRMAPK1
Hydrochloric Acid SCHEMBL3020939 0.74 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL13055369 0.74 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL13055372 0.74 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL3468211 0.73 CA12 (0.57) CA12CA9CA2TSHRMAPK1
SCHEMBL498285 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP disclosed